EcoDrugPlus


Synonyms	Fenoverine Spasmopriv
Status
Molecule Category	Free-form
ATC	A03AX05
UNII	N274ZQ6PZJ
EPA CompTox	DTXSID8046296

Synonyms

Fenoverine

Spasmopriv

Status

Molecule Category

Free-form

ATC

A03AX05

UNII

N274ZQ6PZJ

EPA CompTox

DTXSID8046296


InChI Key	UBAJTZKNDCEGKL-UHFFFAOYSA-N
Smiles	O=C(CN1CCN(Cc2ccc3c(c2)OCO3)CC1)N1c2ccccc2Sc2ccccc21
InChI	InChI=1S/C26H25N3O3S/c30-26(29-20-5-1-3-7-24(20)33-25-8-4-2-6-21(25)29)17-28-13-11-27(12-14-28)16-19-9-10-22-23(15-19)32-18-31-22/h1-10,15H,11-14,16-18H2

InChI Key

UBAJTZKNDCEGKL-UHFFFAOYSA-N

Smiles

O=C(CN1CCN(Cc2ccc3c(c2)OCO3)CC1)N1c2ccccc2Sc2ccccc21

InChI

InChI=1S/C26H25N3O3S/c30-26(29-20-5-1-3-7-24(20)33-25-8-4-2-6-21(25)29)17-28-13-11-27(12-14-28)16-19-9-10-22-23(15-19)32-18-31-22/h1-10,15H,11-14,16-18H2

Property Name	Value
Molecular Formula	C26H25N3O3S
Molecular Weight	459.57
AlogP	4.36
Hydrogen Bond Acceptor	6.0
Number of Rotational Bond	4.0
Polar Surface Area	45.25
Molecular species	NEUTRAL
Aromatic Rings	3.0
Heavy Atoms	33.0

Property Name

Value

Molecular Formula

C26H25N3O3S

Molecular Weight

459.57

AlogP

4.36

Hydrogen Bond Acceptor

6.0

Number of Rotational Bond

4.0

Polar Surface Area

45.25

Molecular species

NEUTRAL

Aromatic Rings

3.0

Heavy Atoms

33.0

Resources	Reference
ChEBI	135744
ChEMBL	CHEMBL1512949
DrugBank	DB13042
DrugCentral	1156
FDA SRS	N274ZQ6PZJ
PubChem	72098
SureChEMBL	SCHEMBL25003
ZINC	ZINC000019899628

Resources

Reference

ChEBI

ChEMBL

DrugBank

DrugCentral

FDA SRS

PubChem

SureChEMBL

ZINC

EcoDrug+ was developed under the PREMIER Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information EcoDrug+ contains.

Elements of EcoDrug+ were developed under the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT Center for Science Ltd is thanked for providing computational resources. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

Content of EcoDrug+ is provided without guarantee for correctness.

Cite Us:

Ashenafi Legehar, Siobhán Monaghan, Mael Briand, Akseli Niemelä, Leo Ghemtio, Ziaurrehman Tanoli, A Ross Brown, Charles R Tyler, Henri Xhaard, EcoDrug PLUS: an advanced database for drug target conservation analysis and environmental risk assessment, Nucleic Acids Research, 2025, gkaf1251 Read...

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

FENOVERINE

Structure

Physicochemical Descriptors

Cross References